2-Propynenitrile

HCID 14055CAS 1070-71-9

Basic information

Standard SMILES
C#CC#N
InChIKey
LNDJVIYUJOJFSO-UHFFFAOYSA-N
Molecular formula
C3HN
Average molar mass
51.05 g/mol
Monoisotopic mass
51.01089903

Overview

structure in first source

Names & identifiers

Preferred name
2-Propynenitrile
IUPAC
prop-2-ynenitrile
English name
Cyanoacetylene
Molecular formula
C3HN
Molecular weight
51.05

Names & synonyms

Cyanoacetylene2-Propynenitrile1070-71-9Propynenitrile0TF7QM91EFRefChem:129044PROPIOLONITRILEprop-2-ynenitrileCyanaethyleneMonocyanoacetyleneCyanaethylene [French]UNII-0TF7QM91EF
Show more names
DM5cyanoethyne1-CyanoethyneEthynyl cyanidePropynyl cyanide
HC.$.CCNSCHEMBL82434Propynenitrile DISCONTINUEDSCHEMBL840623DTXSID40147867AKOS006278721DB-050530EN300-6764770

Database identifiers

CAS
1070-71-9
PubChem CID
14055
DTXSID
DTXSID40147867
UNII
0TF7QM91EF
EC Number
861-640-1
Nikkaji
J71.039C

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
4

Experimental & physicochemical properties

SpringerMaterials PropertiesDunham energy parameter

Physicochemical properties

Melting point
5 ℃ · 5℃
Boiling point
42.5 ℃ · 42.5℃
Density
0.8159 g/cm3 · 0.8159 g/cm3 (17 ºC)
refractive index
1.40072 · 1.40072 (17℃)
Flash point
-30.5 · -30.5±12.6℃
solubility
sol benzene, EtOH, acetonitrile, cyclohexane, toluene, ether.

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P320, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS02,GHS06
Hazard statements
H330-H300-H310-H225
Precautionary statements
P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501

Chemistry & industry

Applications · 1 item

Uses2-Propynenitrile, is the simplest cyanopolyyne. It has been detected by spectroscopic methods in interstellar clouds, in the coma of comet Hale–Bopp and in the atmosphere of Saturn''s moon Titan, where it sometimes forms expansive fog-like clouds.

Preparation methods · 1 item

PreparationCyanoacetylene is not commercially available, but can be prepared on a several gram scale by the dehydration of propynamide (propiolamide) with Phosphorus(V) Oxide (eq 1). The reactants are well ground together under nitrogen, and upon subjection of the resulting solid mixture to high temperature treatment, propynenitrile is collected as a distillate in a receiver held at 5 °C.

Suppliers23 total

杭州品高化工有限公司0571-87658025 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]

Related reactions

10 records

Linked notes

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